3-methylimino-5-phenyl-1H-pyrrol-2-one

C11H10N2O — CID 137238637

IUPAC3-methylimino-5-phenyl-1H-pyrrol-2-one
SMILESC/N=C1\C=C(c2ccccc2)NC1=O
InChIInChI=1S/C11H10N2O/c1-12-10-7-9(13-11(10)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14)
InChIKeyCCQNIRLDKSXVAF-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.23
Rot. Bonds1

About 3-methylimino-5-phenyl-1H-pyrrol-2-one

3-methylimino-5-phenyl-1H-pyrrol-2-one (PubChem CID 137238637) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-methylimino-5-phenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name3-methylimino-5-phenyl-1H-pyrrol-2-one
PubChem CID137238637
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-methylimino-5-phenyl-1H-pyrrol-2-one
SMILESC/N=C1\C=C(c2ccccc2)NC1=O
InChIInChI=1S/C11H10N2O/c1-12-10-7-9(13-11(10)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14)
InChIKeyCCQNIRLDKSXVAF-UHFFFAOYSA-N
XLogP1.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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4-(2-oxo-5-phenyl-1H-pyrrol-3-ylidene)-4-phenylbutanoic acid
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3'-methylimino-5'-phenylspiro[indene-2,2'-thiophene]-1,3-dione
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CID 54119912
N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine
CID 145280773
3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one
CID 175310610
3,3,5-triphenyl-1H-pyrrol-2-one
CID 14668218
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CID 89408092
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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-5-phenyl-1H-pyrrol-2-one?
The IUPAC name of 3-methylimino-5-phenyl-1H-pyrrol-2-one (CID 137238637) is 3-methylimino-5-phenyl-1H-pyrrol-2-one.
What is the SMILES notation for 3-methylimino-5-phenyl-1H-pyrrol-2-one?
The canonical SMILES for 3-methylimino-5-phenyl-1H-pyrrol-2-one is C/N=C1\C=C(c2ccccc2)NC1=O.
What is the InChIKey of 3-methylimino-5-phenyl-1H-pyrrol-2-one?
The InChIKey is CCQNIRLDKSXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-12-10-7-9(13-11(10)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14).
What are the key properties of 3-methylimino-5-phenyl-1H-pyrrol-2-one?
3-methylimino-5-phenyl-1H-pyrrol-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-5-phenyl-1H-pyrrol-2-one is sourced from PubChem (CID 137238637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).